1996 年 62 巻 595 号 p. 880-887
The scattering of an oxygen gas molecule from a graphite surface is simulated using the molecular dynamics method. The numerical simulation is compared with experimental results obtained by scattering a supersonic molecular beam of O2 from a clean graphite surface in a UHV chamber. The angular distributions of scattered O2 of both results show good agreement. The translational and rotational energy loss of the gas molecule at the first collision is also analyzed. The rotational energy loss is most affected by the initial rotational energy, and the translational energy loss is most affected by the initial normal translational energy. Both energy losses are also affected by energy transfer. Comparison with a monatomic gas molecule shows that the core size and the potential well are important factors for the scattering distribution and the energy loss of the gas molecule.